5-(2,5-dimethylpyrrol-1-yl)-1,2,3-benzothiadiazole

Systemtic Name: 5-(2,5-dimethylpyrrol-1-yl)-1,2,3-benzothiadiazole Openeye Name: 5-(2,5-dimethylpyrrol-1-yl)-1,2,3-benzothiadiazole CAS Name: 5-(2,5-dimethyl-1-pyrrolyl)-1,2,3-benzothiadiazole IUPAC Name: 5-(2,5-dimethylpyrrol-1-yl)-1,2,3-benzothiadiazole Traditional Name: 5-(2,5-dimethylpyrrol-1-yl)-1,2,3-benzothiadiazole Formula: C12H11N3S MolecularWeight: 229.30084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC3=C(C=C2)SN=N3)C

Isomeric SMILES

CC1=CC=C(N1C2=CC3=C(C=C2)SN=N3)C

InChI

InChI=1S/C12H11N3S/c1-8-3-4-9(2)15(8)10-5-6-12-11(7-10)13-14-16-12/h3-7H,1-2H3